SCHEMBL7517352

SCHEMBL7517352

COS(=O)(=O)[O-].C[n+]1c2ccccc2c(C(=O)Oc2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)c2ccccc21

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
KMT2A Q03164 5/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 2/20 0.31
TERT O14746 1/20 0.31
NPC1 O15118 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL374354 0.94 KMT2A (0.33) LMNAALDH1A1SMN1; SMN2GAAPKM
SCHEMBL4532046 0.93 KMT2A (0.37) ALDH1A1SMN1; SMN2PSMB8PSMB5KMT2A
SCHEMBL29666930 0.93 KMT2A (0.37) ALDH1A1SMN1; SMN2PSMB8PSMB5KMT2A
Trifluoromethanesulfonic Acid SCHEMBL29698948 0.91 PSMB8 (0.32) LMNAALDH1A1SMN1; SMN2GAAPKM
Trifluoromethanesulfonic Acid SCHEMBL12096566 0.91 PSMB8 (0.32) LMNAALDH1A1SMN1; SMN2GAAPKM
Trifluoromethanesulfonic Acid SCHEMBL2225877 0.86 PSMB8 (0.32) LMNAALDH1A1SMN1; SMN2GAAPKM
SCHEMBL9426644 0.84 PSMB8 (0.32) PSMB8PSMB5
Trifluoromethanesulfonic Acid SCHEMBL16227774 0.80 PSMB8 (0.32) LMNAALDH1A1SMN1; SMN2GAAPKM
SCHEMBL31165787 0.79 KMT2A (0.36) LMNAALDH1A1SMN1; SMN2GAAPKM
Trifluoromethanesulfonic Acid SCHEMBL4624488 0.78 PSMB8 (0.34) PSMB8PSMB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647628-B1 Acridinium derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2002-09-11 EP disclosed
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0257541-B1 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AG (DE) 1996-01-03 EP disclosed
EP-0647628-A1 Acridmium derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed
EP-0257541-A2 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed